methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate

C15H11BrN2O2 — CID 67372009

IUPACmethyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1Br
InChIInChI=1S/C15H11BrN2O2/c1-20-15(19)10-6-7-14-12(8-10)17-9-18(14)13-5-3-2-4-11(13)16/h2-9H,1H3
InChIKeyWMXWUYPDGICVAI-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds2

About methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate

methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate (PubChem CID 67372009) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
PubChem CID67372009
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Namemethyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1Br
InChIInChI=1S/C15H11BrN2O2/c1-20-15(19)10-6-7-14-12(8-10)17-9-18(14)13-5-3-2-4-11(13)16/h2-9H,1H3
InChIKeyWMXWUYPDGICVAI-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
1-(2-propylphenyl)benzimidazole-5-carboxylic acid
CID 63549717
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
ethyl 3-amino-4-(benzimidazol-1-yl)benzoate
CID 61311135
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate (CID 67372009) is methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)ncn2-c1ccccc1Br.
What is the InChIKey of methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate?
The InChIKey is WMXWUYPDGICVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-15(19)10-6-7-14-12(8-10)17-9-18(14)13-5-3-2-4-11(13)16/h2-9H,1H3.
What are the key properties of methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate?
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate has a molecular weight of 331.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 67372009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).